CID 12314974

3-(2-hydroxypropan-2-yl)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-ol

Structural Information

Molecular Formula
C15H22O2
SMILES
CC1=C2CC(C(CC2=C(C=C1)C)O)C(C)(C)O
InChI
InChI=1S/C15H22O2/c1-9-5-6-10(2)12-8-14(16)13(7-11(9)12)15(3,4)17/h5-6,13-14,16-17H,7-8H2,1-4H3
InChIKey
CHZJSQCDRSPCMD-UHFFFAOYSA-N
Compound name
3-(2-hydroxypropan-2-yl)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

234.16199 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 154.9
[M+Na]+ 257.15121 162.4
[M-H]- 233.15471 156.9
[M+NH4]+ 252.19581 173.5
[M+K]+ 273.12515 158.7
[M+H-H2O]+ 217.15925 150.2
[M+HCOO]- 279.16019 170.2
[M+CH3COO]- 293.17584 191.6
[M+Na-2H]- 255.13666 158.4
[M]+ 234.16144 153.2
[M]- 234.16254 153.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe